1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine

C17H13ClN6S — CID 167961806

IUPAC1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
SMILESClc1cccnc1-n1cc(NCc2cnc(-c3ccccn3)s2)cn1
InChIInChI=1S/C17H13ClN6S/c18-14-4-3-7-20-16(14)24-11-12(8-23-24)21-9-13-10-22-17(25-13)15-5-1-2-6-19-15/h1-8,10-11,21H,9H2
InChIKeyRBBKETBULJGYHN-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.05
Rot. Bonds5

About 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine

1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine (PubChem CID 167961806) has the molecular formula C17H13ClN6S and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
PubChem CID167961806
Molecular FormulaC17H13ClN6S
Molecular Weight368.85 g/mol
Exact Mass368.06
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
SMILESClc1cccnc1-n1cc(NCc2cnc(-c3ccccn3)s2)cn1
InChIInChI=1S/C17H13ClN6S/c18-14-4-3-7-20-16(14)24-11-12(8-23-24)21-9-13-10-22-17(25-13)15-5-1-2-6-19-15/h1-8,10-11,21H,9H2
InChIKeyRBBKETBULJGYHN-UHFFFAOYSA-N
XLogP4.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine (CID 167961806) is 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine is Clc1cccnc1-n1cc(NCc2cnc(-c3ccccn3)s2)cn1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
The InChIKey is RBBKETBULJGYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6S/c18-14-4-3-7-20-16(14)24-11-12(8-23-24)21-9-13-10-22-17(25-13)15-5-1-2-6-19-15/h1-8,10-11,21H,9H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine has a molecular weight of 368.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 167961806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).